(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid

Systemtic Name: (5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Openeye Name: [5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]methylsulfanylmethylphosphonic acid CAS Name: [(5-thiophen-2-yl-7-pyrazolo[1,5-a]pyrimidinyl)methylthio]methylphosphonic acid IUPAC Name: (5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methylsulfanylmethylphosphonic acid Traditional Name: [[5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-yl]methylthio]methylphosphonic acid Formula: C12H12N3O3PS2 MolecularWeight: 341.345741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=CC=NN3C(=C2)CSCP(=O)(O)O

Isomeric SMILES

C1=CSC(=C1)C2=NC3=CC=NN3C(=C2)CSCP(=O)(O)O

InChI

InChI=1S/C12H12N3O3PS2/c16-19(17,18)8-20-7-9-6-10(11-2-1-5-21-11)14-12-3-4-13-15(9)12/h1-6H,7-8H2,(H2,16,17,18)